1,1,3-Tris(methylthio)propane
TL;DR: 1,1,3-Tris(methylthio)propane (CAS 81382-04-9) is a chemical compound with molecular formula C6H14S3 and molecular weight 182.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,3-tris(methylsulfanyl)propane
Also Known As: 1,1,3-tris(methylthio)propane, 1,1,3-tris-methylsulfanyl-propane, 1,1,3-tris(methylsulfanyl)propane
| Molecular Formula | C6H14S3 |
|---|---|
| Molecular Weight | 182.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.02576 |
| Heavy Atoms | 9 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 81382-04-9 |
|---|---|
| SMILES | CSCCC(SC)SC |
| InChIKey | LWPTXCYOUONIIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,3-Tris(methylthio)propane (CAS 81382-04-9), with molecular formula C6H14S3 and molecular weight 182.03 g/mol. IUPAC: 1,1,3-tris(methylsulfanyl)propane.
Chemical Property Profile of 1,1,3-Tris(methylthio)propane
Property Insights of 1,1,3-Tris(methylthio)propane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,3-Tris(methylthio)propane. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,3-Tris(methylthio)propane. Following Lipinski's Rule of Five, 1,1,3-Tris(methylthio)propane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,3-Tris(methylthio)propane?
The CAS number of 1,1,3-Tris(methylthio)propane is 81382-04-9.
What is the molecular formula of 1,1,3-Tris(methylthio)propane?
The molecular formula of 1,1,3-Tris(methylthio)propane is C6H14S3.
What is the molecular weight of 1,1,3-Tris(methylthio)propane?
The molecular weight of 1,1,3-Tris(methylthio)propane is 182.03 g/mol.
Where can I buy 1,1,3-Tris(methylthio)propane?
You can request a quote for 1,1,3-Tris(methylthio)propane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,3-Tris(methylthio)propane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,3-Tris(methylthio)propane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.